N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide

C17H26N2O4 — CID 34837733

IUPACN-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(CC)CC)cc1OCC
InChIInChI=1S/C17H26N2O4/c1-5-19(6-2)16(20)12-18-17(21)13-9-10-14(22-7-3)15(11-13)23-8-4/h9-11H,5-8,12H2,1-4H3,(H,18,21)
InChIKeyFPTGQDFQLQQWIN-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.08
Rot. Bonds9

About N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide

N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide (PubChem CID 34837733) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
PubChem CID34837733
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(CC)CC)cc1OCC
InChIInChI=1S/C17H26N2O4/c1-5-19(6-2)16(20)12-18-17(21)13-9-10-14(22-7-3)15(11-13)23-8-4/h9-11H,5-8,12H2,1-4H3,(H,18,21)
InChIKeyFPTGQDFQLQQWIN-UHFFFAOYSA-N
XLogP2.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55396470
3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 115597740
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 38105972
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
3,4-diethoxy-N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]benzamide
CID 51164219
3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658818
N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide
CID 107034454
N-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161803
N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 134046635
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide (CID 34837733) is N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)N(CC)CC)cc1OCC.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide?
The InChIKey is FPTGQDFQLQQWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-19(6-2)16(20)12-18-17(21)13-9-10-14(22-7-3)15(11-13)23-8-4/h9-11H,5-8,12H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide?
N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide has a molecular weight of 322.41 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 34837733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).